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100185-53-3 | 4(3H)-Pyrimidinone, 5,6-dihydro-2-(methylthio)-
CAS No: 100185-53-3 Catalog No: AG000162 MDL No:MFCD19224225
Product Description
Catalog Number:
AG000162
Chemical Name:
4(3H)-Pyrimidinone, 5,6-dihydro-2-(methylthio)-
CAS Number:
100185-53-3
Molecular Formula:
C5H8N2OS
Molecular Weight:
144.1948
MDL Number:
MFCD19224225
IUPAC Name:
2-methylsulfanyl-4,5-dihydro-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H8N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H2,1H3,(H,6,7,8)
InChI Key:
MZBYNRXWZKXNMZ-UHFFFAOYSA-N
SMILES:
CSC1=NCCC(=O)N1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.192g/mol
Monoisotopic Mass:
144.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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